4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide

C9H17N3OS — CID 79154300

IUPAC4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C9H17N3OS/c1-11(2)9(13)12-5-3-7(4-6-12)8(10)14/h7H,3-6H2,1-2H3,(H2,10,14)
InChIKeyZMFMOTSGNLALLT-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.67
Rot. Bonds1

About 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide

4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 79154300) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide
PubChem CID79154300
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C9H17N3OS/c1-11(2)9(13)12-5-3-7(4-6-12)8(10)14/h7H,3-6H2,1-2H3,(H2,10,14)
InChIKeyZMFMOTSGNLALLT-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159759
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 62627270
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 115661303
4-N,4-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 61233622
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid
CID 83265684
1-N,1-N-dimethyl-4-N-[2-(methylamino)propyl]piperidine-1,4-dicarboxamide
CID 120828598
1-N,1-N-dimethylazetidine-1,3-dicarboxamide
CID 130950203

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide (CID 79154300) is 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(N)=S)CC1.
What is the InChIKey of 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is ZMFMOTSGNLALLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-11(2)9(13)12-5-3-7(4-6-12)8(10)14/h7H,3-6H2,1-2H3,(H2,10,14).
What are the key properties of 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide?
4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 215.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 79154300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).